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Calcium in PDB 1ys1: Burkholderia Cepacia Lipase Complexed with Hexylphosphonic Acid (R)-2-Methyl-3-Phenylpropyl Ester

Enzymatic activity of Burkholderia Cepacia Lipase Complexed with Hexylphosphonic Acid (R)-2-Methyl-3-Phenylpropyl Ester

All present enzymatic activity of Burkholderia Cepacia Lipase Complexed with Hexylphosphonic Acid (R)-2-Methyl-3-Phenylpropyl Ester:
3.1.1.3;

Protein crystallography data

The structure of Burkholderia Cepacia Lipase Complexed with Hexylphosphonic Acid (R)-2-Methyl-3-Phenylpropyl Ester, PDB code: 1ys1 was solved by A.Mezzetti, J.D.Schrag, C.S.Cheong, R.J.Kazlauskas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.42 / 1.10
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 88.848, 46.185, 84.626, 90.00, 121.27, 90.00
R / Rfree (%) 14.9 / 15.8

Calcium Binding Sites:

The binding sites of Calcium atom in the Burkholderia Cepacia Lipase Complexed with Hexylphosphonic Acid (R)-2-Methyl-3-Phenylpropyl Ester (pdb code 1ys1). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Burkholderia Cepacia Lipase Complexed with Hexylphosphonic Acid (R)-2-Methyl-3-Phenylpropyl Ester, PDB code: 1ys1:

Calcium binding site 1 out of 1 in 1ys1

Go back to Calcium Binding Sites List in 1ys1
Calcium binding site 1 out of 1 in the Burkholderia Cepacia Lipase Complexed with Hexylphosphonic Acid (R)-2-Methyl-3-Phenylpropyl Ester


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Burkholderia Cepacia Lipase Complexed with Hexylphosphonic Acid (R)-2-Methyl-3-Phenylpropyl Ester within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Ca400

b:5.8
occ:1.00
 OD2 X:ASP288 2.3 5.8 1.0
O X:VAL296 2.3 7.0 1.0
OD2 X:ASP242 2.3 6.5 1.0
O X:HOH702 2.3 6.4 1.0
O X:HOH711 2.4 7.2 1.0
O X:GLN292 2.4 6.1 1.0
C X:GLN292 3.4 5.8 1.0
C X:VAL296 3.5 6.6 1.0
CG X:ASP288 3.5 5.4 1.0
CG X:ASP242 3.5 5.9 1.0
N X:LEU293 3.6 6.4 1.0
CA X:ARG297 4.0 6.8 1.0
N X:ARG297 4.2 7.0 1.0
OD1 X:ASP288 4.3 6.1 1.0
N X:ASP288 4.3 5.3 1.0
OG X:SER244 4.3 6.6 1.0
CA X:ASP288 4.3 5.5 1.0
OD1 X:ASP242 4.3 6.3 1.0
OD1 X:ASN285 4.3 5.3 1.0
O X:HOH715 4.4 6.6 1.0
ND2 X:ASN285 4.4 6.4 1.0
CB X:ASP242 4.4 6.8 1.0
OG1 X:THR245 4.5 6.5 1.0
CB X:ASP288 4.5 5.6 1.0
CB X:ARG297 4.5 7.2 1.0
CA X:VAL296 4.6 7.0 1.0
CA X:GLN292 4.8 6.0 1.0
C X:LEU287 4.8 5.2 1.0
CB X:VAL296 4.8 7.0 1.0
CG X:ASN285 4.8 5.5 1.0
N X:VAL296 4.9 6.8 1.0
N X:GLN292 5.0 5.7 1.0

Reference:

A.Mezzetti, J.D.Schrag, C.S.Cheong, R.J.Kazlauskas. Mirror-Image Packing in Enantiomer Discrimination Molecular Basis For the Enantioselectivity of B.Cepacia Lipase Toward 2-Methyl-3-Phenyl-1-Propanol. Chem.Biol. V. 12 427 2005.
ISSN: ISSN 1074-5521
PubMed: 15850979
DOI: 10.1016/J.CHEMBIOL.2005.01.016
Page generated: Fri Jul 12 08:11:46 2024

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